2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

C84H77BrN8O2 — CID 157439052

IUPAC2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C42H38N4O.C21H19BrN2.C21H20N2O/c1-41(2,3)27-19-21-43-39(23-27)45-35-13-9-7-11-31(35)33-17-15-29(25-37(33)45)47-30-16-18-34-32-12-8-10-14-36(32)46(38(34)26-30)40-24-28(20-22-44-40)42(4,5)6;1-21(2,3)14-10-11-23-20(12-14)24-18-7-5-4-6-16(18)17-9-8-15(22)13-19(17)24;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23/h7-26H,1-6H3;4-13H,1-3H3;4-13,24H,1-3H3
InChIKeyBRLIGVGGRSOEQN-UHFFFAOYSA-N
MW1310.50 g/mol
LogP22.48
Rot. Bonds6

About 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (PubChem CID 157439052) has the molecular formula C84H77BrN8O2 and a molecular weight of 1310.50 g/mol. Its IUPAC name is 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.

Molecular Properties

Compound Name2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
PubChem CID157439052
Molecular FormulaC84H77BrN8O2
Molecular Weight1310.50 g/mol
Exact Mass1308.54
IUPAC Name2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C42H38N4O.C21H19BrN2.C21H20N2O/c1-41(2,3)27-19-21-43-39(23-27)45-35-13-9-7-11-31(35)33-17-15-29(25-37(33)45)47-30-16-18-34-32-12-8-10-14-36(32)46(38(34)26-30)40-24-28(20-22-44-40)42(4,5)6;1-21(2,3)14-10-11-23-20(12-14)24-18-7-5-4-6-16(18)17-9-8-15(22)13-19(17)24;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23/h7-26H,1-6H3;4-13H,1-3H3;4-13,24H,1-3H3
InChIKeyBRLIGVGGRSOEQN-UHFFFAOYSA-N
XLogP22.48
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.50
LogP ≤ 522.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The IUPAC name of 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (CID 157439052) is 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.
What is the SMILES notation for 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The canonical SMILES for 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Br)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1.
What is the InChIKey of 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The InChIKey is BRLIGVGGRSOEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O.C21H19BrN2.C21H20N2O/c1-41(2,3)27-19-21-43-39(23-27)45-35-13-9-7-11-31(35)33-17-15-29(25-37(33)45)47-30-16-18-34-32-12-8-10-14-36(32)46(38(34)26-30)40-24-28(20-22-44-40)42(4,5)6;1-21(2,3)14-10-11-23-20(12-14)24-18-7-5-4-6-16(18)17-9-8-15(22)13-19(17)24;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23/h7-26H,1-6H3;4-13H,1-3H3;4-13,24H,1-3H3.
What are the key properties of 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol has a molecular weight of 1310.50 g/mol, XLogP of 22.48, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)-2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxycarbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is sourced from PubChem (CID 157439052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).